2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

C14H12N4O2S — CID 171679450

IUPAC2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCc1nccs1
InChIInChI=1S/C14H12N4O2S/c19-12(16-8-13-15-5-6-21-13)7-11-9-3-1-2-4-10(9)14(20)18-17-11/h1-6H,7-8H2,(H,16,19)(H,18,20)
InChIKeyCSWHTHRGZPWMPW-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.24
Rot. Bonds4

About 2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide

2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 171679450) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID171679450
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCc1nccs1
InChIInChI=1S/C14H12N4O2S/c19-12(16-8-13-15-5-6-21-13)7-11-9-3-1-2-4-10(9)14(20)18-17-11/h1-6H,7-8H2,(H,16,19)(H,18,20)
InChIKeyCSWHTHRGZPWMPW-UHFFFAOYSA-N
XLogP1.24
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166429063
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 171679416
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2558717
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
2-(4-hydroxyphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110463122
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 139017463
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789692
N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17406582
2-(4-oxo-3H-phthalazin-1-yl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9143875

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 171679450) is 2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1nccs1.
What is the InChIKey of 2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is CSWHTHRGZPWMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c19-12(16-8-13-15-5-6-21-13)7-11-9-3-1-2-4-10(9)14(20)18-17-11/h1-6H,7-8H2,(H,16,19)(H,18,20).
What are the key properties of 2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 300.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 171679450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).